Comprehensive review of photophysical parameters (ε, Φf, τs) of tetraphenylporphyrin (H2TPP) and zinc tetraphenylporphyrin (ZnTPP)–Critical benchmark molecules …
M Taniguchi, JS Lindsey, DF Bocian… - Journal of Photochemistry …, 2021 - Elsevier
Tetraphenylporphyrin (H 2 TPP) and zinc tetraphenylporphyrin (ZnTPP) are widely used
benchmark molecules in diverse photochemical studies given facile synthetic access, rich …
benchmark molecules in diverse photochemical studies given facile synthetic access, rich …
Synthesis, characterization and DFT study of methoxybenzylidene containing chromophores for DSSC materials
Novel tricyanovinyl derived from hydrazones have been prepared by the reaction of
tetracyanoethylene and phenylethylidene hydrazone, and these dyes showed absorption in …
tetracyanoethylene and phenylethylidene hydrazone, and these dyes showed absorption in …
A colorimetric probe for the real-time naked eye detection of cyanide and hydroxide ions in tap water: experimental and theoretical studies
Herein, a colorimetric sensor (L) based on a naphthyl derivative bearing hydrazone
receptors was synthesized via a one-step reaction process, and its recognition properties …
receptors was synthesized via a one-step reaction process, and its recognition properties …
Molecular design of new hydrazone dyes for dye-sensitized solar cells: Synthesis, characterization and DFT study
Three new sensitizers 2-{4-[2-(4-Nitrobenzylidene) hydrazino)] phenyl} ethylene-1, 1, 2-
tricarbonitrile (NBHPET), 2-{4-[2-p-Chlorobenzylidenehydrazino] phenyl}-ethylene-1, 1, 2-tri …
tricarbonitrile (NBHPET), 2-{4-[2-p-Chlorobenzylidenehydrazino] phenyl}-ethylene-1, 1, 2-tri …
The DFT investigations of the electron injection in hydrazone-based sensitizers
Quantum chemical calculations were carried out by using density functional theory and time-
dependant density functional theory at B3LYP/6-31G (d) and TD-B3LYP/6-31G (d) level of …
dependant density functional theory at B3LYP/6-31G (d) and TD-B3LYP/6-31G (d) level of …
Fabrication and characterization of ZnTPP: PCBM bulk heterojunction (BHJ) solar cells
Bulk heterojunction (BHJ) solar cells were fabricated based on blended films of a porphyrin
derivative 5, 10, 15, 20-Tetraphenyl-21H, 23H-porphine zinc (ZnTPP) and a fullerene …
derivative 5, 10, 15, 20-Tetraphenyl-21H, 23H-porphine zinc (ZnTPP) and a fullerene …
Quantum chemical investigations aimed at modeling highly efficient zinc porphyrin dye sensitized solar cells
Zinc tetraphenylporphyrin (ZnTPP) was modified by a push-pull strategy and then density
functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were performed for …
functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were performed for …
Nitrogen‐Containing Functional Groups Dominate the Molecular Absorption of Water‐Soluble Humic‐Like Substances in Air From Nanjing, China Revealed by the …
The light absorption capacity of water‐soluble humic‐like substances (HULISWS) at the
molecular level is crucial for reducing the uncertainties in modeling the radiative forcing …
molecular level is crucial for reducing the uncertainties in modeling the radiative forcing …
Electronic, optical, and charge transfer properties of donor–bridge–acceptor hydrazone sensitizers
AG Al-Sehemi, MAM Al-Melfi, A Irfan - Structural Chemistry, 2013 - Springer
The ground state geometries have been computed by using density functional theory (DFT)
at B3LYP/6-31G*, B3LYP/6-31G**, and PCM-B3LYP/6-31G* level of theories. The highest …
at B3LYP/6-31G*, B3LYP/6-31G**, and PCM-B3LYP/6-31G* level of theories. The highest …
[HTML][HTML] Density functional theory investigations of radical scavenging activity of 3′-Methyl-quercetin
AG Al-Sehemi, A Irfan, SM Aljubiri… - Journal of Saudi Chemical …, 2016 - Elsevier
The possible eight rotamers of 3′-Methyl-quercetin have been optimized by using density
functional theory (DFT) at B3LYP/6-31G∗ level of theory. The molecular structure and …
functional theory (DFT) at B3LYP/6-31G∗ level of theory. The molecular structure and …